N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide

C32H31N5O3 — CID 177319821

About N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide

N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 177319821) has the molecular formula C32H31N5O3 and a molecular weight of 533.63 g/mol. Its IUPAC name is N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
• PubChem CID: 177319821
• Molecular Formula: C32H31N5O3
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.24
• IUPAC Name: N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
• SMILES: CCc1c(C)noc1CN(C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)cc1
• InChI: InChI=1S/C32H31N5O3/c1-6-24-21(4)36-40-29(24)18-37(5)32(39)22-10-12-23(13-11-22)34-31(38)26-17-28(27-9-7-8-14-33-27)35-30-20(3)15-19(2)16-25(26)30/h7-17H,6,18H2,1-5H3,(H,34,38)
• InChIKey: HUMVHRBIOHPKRZ-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide?

The IUPAC name of N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 177319821) is N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide.

What is the SMILES notation for N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide?

The canonical SMILES for N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide is CCc1c(C)noc1CN(C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)cc1.

What is the InChIKey of N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide?

The InChIKey is HUMVHRBIOHPKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O3/c1-6-24-21(4)36-40-29(24)18-37(5)32(39)22-10-12-23(13-11-22)34-31(38)26-17-28(27-9-7-8-14-33-27)35-30-20(3)15-19(2)16-25(26)30/h7-17H,6,18H2,1-5H3,(H,34,38).

What are the key properties of N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide?

N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 177319821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).